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Capillin
SpectraBase Compound ID 1lpW9egz0cV
InChI InChI=1S/C12H8O/c1-2-3-5-10-12(13)11-8-6-4-7-9-11/h4,6-9H,1H3
InChIKey RAZOKRUZEQERLH-UHFFFAOYSA-N
Mol Weight 168.19 g/mol
Molecular Formula C12H8O
Exact Mass 168.057515 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AkoGWRFaVIa
Name Capillin
CAS Registry Number 495-74-9
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 168.057514877 u
Formula C12H8O
InChI InChI=1S/C12H8O/c1-2-3-5-10-12(13)11-8-6-4-7-9-11/h4,6-9H,1H3
InChIKey RAZOKRUZEQERLH-UHFFFAOYSA-N
Molecular Weight 168.195 g/mol
Number of Peaks 50
RI1 1639
SMILES C(=O)(C#CC#CC)c1ccccc1
SPLASH splash10-000f-7900000000-e518c31b7c17cee6a4cc
Sample Comments RI1: measured on SLB-5ms (Hydro) RI2: measured on SLB-5ms (FAMEs) RI3: measured on Supelcowax-10 (FAMEs) RI4: measured on Supelcowax-10 (FAEEs) RI5: measured on Equity-1 (Hydro)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms 2,4-Hexadiyn-1-one, 1-phenyl-
Wiley ID LM_FFNSC3_2318